AG006RMB

96382-85-3 | (1R,3S)-rel-3-(Methoxycarbonyl)cyclopentanecarboxylic acid

AG006RMB

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CAS Number	96382-85-3
Catalog Number	AG006RMB(AGN-PC-0OOD3U)
Chemical Name	(1R,3S)-rel-3-(Methoxycarbonyl)cyclopentanecarboxylic acid
IUPAC Name	(1R,3S)-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)/t5-,6+/m1/s1
InChI Key	FVUHGTQDOMGZOT-RITPCOANSA-N
MDL Number	MFCD01311176
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C([C@H]1C[C@@H](C(OC)=O)CC1)O
Synonyms	96382-85-3, (1R,3S)-3-(Methoxycarbonyl)cyclopentanecarboxylic acid, cis-3-Carbomethoxycyclopentane-1-carboxylic acid, 1098881-13-0, (1R,3S)-rel-3-(Methoxycarbonyl)cyclopentanecarboxylic acid, (1R,3S)-3-(methoxycarbonyl)cyclopentane-1-carboxylic acid, rel-(1R,3S)-3-(Methoxycarbonyl)cyclopentanecarboxylic acid, AK159187, SCHEMBL439125, KS-00000PSC, FVUHGTQDOMGZOT-RITPCOANSA-N, ZINC1682196, 1905AA, 4523AF, MFCD01311176, AKOS006278152, DS-9644, FCH2258502, MCULE-4983078118, NE42322, AJ-29714, AX8220572, EN300-100866, W-8168, cis-3-(methoxycarbonyl)cyclopentane-1-carboxylic acid, Z1416282841, rac-(1R,3S)-3-(methoxycarbonyl)cyclopentanecarboxylic acid, (1S)-Cyclopentane-1alpha,3alpha-dicarboxylic acid 1-methyl ester, C8H12O4, (1R,3S)-3-(Methoxycarbonyl)cyclopentanecarboxylicacid, CIS-3-CARBOMETHOXYCYCLOPENTANE-1-CARBOXYLICACID,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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