Dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate

HCID 13633974
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Basic information

CAS
15448-76-7
Standard SMILES
COC(=O)C12CCC(C(=O)OC)(CC1)C2
InChIKey
UBGSPDWVUMFEAZ-UHFFFAOYSA-N
Molecular formula
C11H16O4
Average molar mass
212.24 g/mol
Monoisotopic mass
212.10485899

Names & identifiers

Preferred name
Dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate
IUPAC
dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate
English name
DiMethyl bicyclo[2.2.1]heptane-1,4-carboxylate
Molecular formula
C11H16O4
Molecular weight
212.24

Names & synonyms

15448-76-7DIMETHYL BICYCLO[2.2.1]HEPTANE-1,4-DICARBOXYLATE1,4-dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylateDimethyl bicyclo[2.2.1]heptane-1,4-carboxylateMFCD23701447dimethyl norbornane-1,4-dicarboxylatedimethylbicyclo[2.2.1]heptane-1,4-dicarboxylatebicyclo[2.2.1]heptane-1,4-dicarboxylateAKOS016007414SB12249Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid, dimethyl esterSY103455
Show more names
Dimethyl (1r,4r)-bicyclo[2.2.1]heptane-1,4-dicarboxylateBicyclo[2.2.1]heptane-1,4-dicarboxylic acid, 1,4-dimethyl ester
CS-0029896EN300-174111dimethyl bicyclo(2.2.1)heptane-1,4-dicarboxylateAMY34081A883720SCHEMBL1537011SCHEMBL16875246DTXSID80545505

Database identifiers

CAS
15448-76-7
PubChem CID
13633974
DTXSID
DTXSID80545505
Nikkaji
J2.833.039A

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Melting point
57.2 · 57.2-58 °C
Boiling point
264.9 · 264.9±13.0 °C(Predicted)
Density
1.248 · 1.248±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Appearance
White to light yellow Solid
InChI
InChI=1S/C11H16O4/c1-14-8(12)10-3-5-11(7-10,6-4-10)9(13)15-2/h3-7H2,1-2H3

Safety & regulation

Safety data

hs_code
2917200090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H302+H312+H332-H315
Precautionary statements
P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers78 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [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

5 records
New reaction record

Compound notes

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