AG008HN8

84545-00-6 | 1,3-Cyclopentanedicarboxylicacid, 1-methyl ester

AG008HN8

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CAS Number	84545-00-6
Catalog Number	AG008HN8(AGN-PC-0946GJ)
Chemical Name	1,3-Cyclopentanedicarboxylicacid, 1-methyl ester
IUPAC Name	3-methoxycarbonylcyclopentane-1-carboxylic acid
InChI	InChI=1S/C8H12O4/c1-12-8(11)6-3-2-5(4-6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)
InChI Key	FVUHGTQDOMGZOT-UHFFFAOYSA-N
MDL Number	MFCD19688558
Molecular Formula	C8H12O4
Molecular Weight	172.1785
NSC Number	50877
SMILES	COC(=O)C1CCC(C1)C(=O)O
Synonyms	84545-00-6, 3-(methoxycarbonyl)cyclopentane-1-carboxylic acid, 3-(methoxycarbonyl)cyclopentanecarboxylic acid, 3-methoxycarbonylcyclopentane-1-carboxylic acid, trans-3-(Methoxycarbonyl)cyclopentanecarboxylic acid, 111139-10-7, AK159187, NSC50877, (1R,3S)-1,3-Cyclopentanedicarboxylic Acid 1-Methyl Ester, SCHEMBL439126, AC1L698K, CTK5F2616, DTXSID00287399, MFCD19688558, NSC-50877, AKOS015900787, KS-00000U53, AK662179, DS-19853, 1,3-Cyclopentanedicarboxylic acid 1-methyl ester, 1,3-Cyclopentanedicarboxylicacid, 1-methyl ester, I14-16092, (1R,3S)-3-methoxycarbonylcyclopentane-1-carboxylic acid, (1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid, CID242320, (1R,3S)-rel-3-(Methoxycarbonyl)cyclopentanecarboxylic acid, (1S,3R)-3-(Methoxycarbonyl)cyclopentanecarboxylic Acid, (1R,3S)-3-(Methoxycarbonyl)cyclopentanecarboxylic acid, 96382-85-3, 96443-42-4, 1098881-13-0,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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