1H-Indole-3-propanoic acid, 2-methyl-

HCID 97380
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Basic information

CAS
1136-87-4
Standard SMILES
Cc1[nH]c2ccccc2c1CCC(=O)O
InChIKey
MVCHNOBEGHXCDV-UHFFFAOYSA-N
Molecular formula
C12H13NO2
Average molar mass
203.24 g/mol
Monoisotopic mass
203.09462866

Names & identifiers

Preferred name
1H-Indole-3-propanoic acid, 2-methyl-
IUPAC
3-(2-methyl-1H-indol-3-yl)propanoic acid
English name
2-Methyl-1H-indole-3-propanoic acid
Molecular formula
C12H13NO2
Molecular weight
0

Names & synonyms

3-(2-methyl-1H-indol-3-yl)propanoic acid1136-87-41H-Indole-3-propanoic acid, 2-methyl-2-Methyl-1H-indole-3-propanoic acidNSC119449Oprea1_600437Oprea1_713753SCHEMBL1740428SCHEMBL30343681DTXSID90150482MVCHNOBEGHXCDV-UHFFFAOYSA-NBAA13687
Show more names
AKOS0002831253-(2-methylindol-3-yl)propanoic acidNSC 119449NSC-119449beta-(2-methyl-3-indolyl)propionic acidBAS 012565273-(2-methyl-1H-indol-3-yl)propanoicacidDB-303437

Database identifiers

CAS
1136-87-4
PubChem CID
97380
DTXSID
DTXSID90150482
Nikkaji
J2.000.857A

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
53.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers3 total

SPECS[email protected]
PRINCETON[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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