AG000U2A

13013-02-0 | Butanoic acid, 4-nitro-, methyl ester

AG000U2A

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CAS Number	13013-02-0
Catalog Number	AG000U2A(AGN-PC-076SH7)
Chemical Name	Butanoic acid, 4-nitro-, methyl ester
EC Number	235-866-0
IUPAC Name	methyl 4-nitrobutanoate
InChI	InChI=1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3
InChI Key	UBSPKGKFFQKZJB-UHFFFAOYSA-N
MDL Number	MFCD00007408
Molecular Formula	C5H9NO4
Molecular Weight	147.1293
NSC Number	126459
SMILES	O=C(OC)CCC[N+]([O-])=O
Synonyms	methyl 4-nitrobutyrate, Methyl 4-nitrobutyrate, Methyl 4-nitrobutanoate, 13013-02-0, 4-Nitrobutyric acid methyl ester, Butanoic acid, 4-nitro-, methyl ester, BUTYRIC ACID, 4-NITRO-, METHYL ESTER, METHYL4-NITROBUTYRATE, NSC 126459, 4-Nitrobutanoic Acid Methyl Ester, EINECS 235-866-0, BRN 1766154, UBSPKGKFFQKZJB-UHFFFAOYSA-N, 4-nitro-butyric acid methyl ester, methyl-4-nitrobutyrate, ACMC-1CHYV, methyl 4-nitro-butyrate, cbi-bb zero/005216, Methyl 4-nitrobutanoate #, AC1L19EC, 4-nitro-butyricacimethylester, 4-02-00-00840 (Beilstein Handbook Reference), SCHEMBL974959, Methyl 4-nitrobutyrate, 97%, CHEMBL3358703, CTK4B6539, DTXSID30156362, AC1Q4423, ZERO/005216, ZINC1715186, methyl 4-nitrobutyrate, tech. 80%, MFCD00007408, NSC126459, SBB013240, STK684996, AKOS005203224, Butanoic acid,4-nitro-, methyl ester, MCULE-6885475719, NE10487, NSC-126459, TRA0159670, AS-55030, CJ-29081, LS-48128, DB-041943, ST4111296, TC-166174, CS-0039131, FT-0636772, Z9740, EN300-66820, Butanoic acid, 4-nitro-, methyl ester (9CI), J-005751, F2147-8058, I14-101335, Butyric acid, methyl ester, Butanoic acid, methyl ester, C5H9NO4, C5-H9-N-O4, CID25604, ACN-046006,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.13g/mol
Monoisotopic Mass	147.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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