1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acid

HCID 85575CAS 16728-01-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C2(C(=O)O)CC2)cc1
InChIKey
WCPFQQHADRJANG-UHFFFAOYSA-N
Molecular formula
C11H12O3
Average molar mass
192.21 g/mol
Monoisotopic mass
192.07864424

Names & identifiers

Preferred name
1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acid
IUPAC
1-(4-methoxyphenyl)cyclopropane-1-carboxylic acid
English name
1-(4-METHOXYPHENYL)-1-CYCLOPROPANECARBOXYLIC ACID
Molecular formula
C11H12O3
Molecular weight
192.21

Names & synonyms

1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acidEINECS 240-788-5DTXSID30168263NSC 158249RefChem:425789DTXCID0090754240-788-516728-01-11-(4-methoxyphenyl)cyclopropanecarboxylic acid1-(4-METHOXYPHENYL)-1-CYCLOPROPANECARBOXYLIC ACIDCYCLOPROPANECARBOXYLIC ACID, 1-(4-METHOXYPHENYL)-MFCD00019223
Show more names
RARECHEM AL BO 1513TIMTEC-BB SBB0054531-(4-methoxyphenyl)-1-cyclopropanecarboxylate1-(4-Methoxy-phenyl)cyclopropan-carboxylic acidCyclopropanecarboxylicacid, 1-(4-Methoxyphenyl)-1-(4-Methoxyphenyl)-1-cyclopropanecarboxylicacid,96%1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acid 97%
1-(4-Methoxyphenyl)-1-Cyclopropane- Carboxylic Acid1-(4-Methoxy-phenyl)-cyclopropanecarboxylic acidNSC158249SCHEMBL301027ALBB-019243SBB005453STL185705AKOS000264724

Database identifiers

CAS
16728-01-1
PubChem CID
85575
DTXSID
DTXSID30168263
EC Number
240-788-5
Nikkaji
J236.841B

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
127 · 127-132 °C
Boiling point
288.19 °C · 288.19°C (rough estimate)
Density
1.143 · 1.1430 (rough estimate)
refractive index
1.534 · 1.5340 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Methanol

Safety & regulation

Safety data

hs_code
29189990
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25-25-24
Hazard statements
H315-H319-H335
Precautionary statements
P280-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

74 records
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Linked notes

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