AG00D8SA

4415-84-3 | Cyclobutanepropanoic acid

AG00D8SA

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CAS Number	4415-84-3
Catalog Number	AG00D8SA(AGN-PC-00L6R4)
Chemical Name	Cyclobutanepropanoic acid
IUPAC Name	3-cyclobutylpropanoic acid
InChI	InChI=1S/C7H12O2/c8-7(9)5-4-6-2-1-3-6/h6H,1-5H2,(H,8,9)
InChI Key	VNCXJXZUMVHKNG-UHFFFAOYSA-N
MDL Number	MFCD08061939
Molecular Formula	C7H12O2
Molecular Weight	128.1690
SMILES	O=C(O)CCC1CCC1
Synonyms	3-cyclobutylpropanoic acid, 4415-84-3, Cyclobutanepropanoic acid, 3-CYCLOBUTYL-PROPIONIC ACID, CYCLOBUTYLPROPIONIC ACID, Cyclobutanepropanoicacid, cyclobutanepropionic acid, SCHEMBL1009256, CTK1D5176, DTXSID40522771, VNCXJXZUMVHKNG-UHFFFAOYSA-N, ALBB-018053, 3714AE, MFCD08061939, SBB072391, ZINC20445540, AKOS000302310, MCULE-5780532364, VZ31610, AJ-77723, AS-42790, SC-30968, TR-056752, BB 0258025, CS-0060765, FT-0746588, ST45028096, Y-3666, C7H12O2,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.171g/mol
Monoisotopic Mass	128.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302+H312+H332-H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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