AG002208

180464-87-3 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester

AG002208

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CAS Number	180464-87-3
Catalog Number	AG002208(AGN-PC-0QBTDY)
Chemical Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester
IUPAC Name	methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate
InChI	InChI=1S/C8H12O3/c1-11-6(10)8-2-7(3-8,4-8)5-9/h9H,2-5H2,1H3
InChI Key	BYTLJVZXUYVJKN-UHFFFAOYSA-N
MDL Number	MFCD23164154
Molecular Formula	C8H12O3
Molecular Weight	156.1791
SMILES	O=C(C1(C2)CC2(CO)C1)OC
Synonyms	180464-87-3, methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate, Methyl 3-(hydroxymethyl)bicyclo-[1.1.1]pentane-1-carboxylate, BYTLJVZXUYVJKN-UHFFFAOYSA-N, SCHEMBL17221436, CTK8H3258, Methyl 1-(hydroxymethyl)bicyclo[1.1.1]pentane-3-carboxylate, KS-000004GX, MFCD23164154, ZINC34478887, AKOS025290721, FCH2317950, GS-8012, SB11708, Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI), AK170386, OR317273, ST1251367, CS-0047309, Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester, Methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate, AldrichCPR, CID10796998,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.181g/mol
Monoisotopic Mass	156.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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