AG00HBSK

111-79-5 | Nonenoic acid, methyl ester

AG00HBSK

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CAS Number	111-79-5
Catalog Number	AG00HBSK(AGN-PC-03EAXD)
Chemical Name	Nonenoic acid, methyl ester
FEMA Number	2725
IUPAC Name	methyl (E)-non-2-enoate
InChI	InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8+
InChI Key	ZWNPUELCBZVMDA-CMDGGOBGSA-N
MDL Number	MFCD00027316
Molecular Formula	C10H18O2
Molecular Weight	170.2487
SMILES	CCCCCC/C=C/C(OC)=O
UNII	J9XX5Y9211
Synonyms	Methyl 2-nonenoate, Neofolione, Methyl non-2-enoate, Methyl nonylenate, Methyl trans-2-nonenoate, 111-79-5, Methyl nonenoate, methyl (2E)-non-2-enoate, UNII-J9XX5Y9211, FEMA No. 2725, 2-NONENOIC ACID, METHYL ESTER, EINECS 203-908-7, NSC 76416, (E)-methyl non-2-enoate, BRN 1754167, Melon nonenoate, AI3-02449, 14952-06-8, ZWNPUELCBZVMDA-CMDGGOBGSA-N, J9XX5Y9211, METHYL-2-NONENOATE, NSC-76416, 2-Nonenoic acid, methyl ester, (2E)-, 2-Nonenoic acid, methyl ester, (E)-, 2-Nonenoic acid, methyl ester, trans-, AC1NSQFX, AC1Q5YZV, methyl (E)-non-2-enoate, DSSTox_CID_27637, DSSTox_RID_82466, DSSTox_GSID_47637, 3-02-00-01347 (Beilstein Handbook Reference), SCHEMBL874682, Jsp000885, CHEMBL3184812, DTXSID3047637, (E)-2-Nonenoic acid methyl ester, 37822-76-7, ZINC1707857, (E)-non-2-enoic acid methyl ester, EINECS 253-677-1, Tox21_302582, 5753AF, STK033071, AKOS005381295, LS-2945, Methyl trans-2-nonenoate, >=97%, FG, NCGC00256707-01, AK112231, CC-30432, CAS-14952-06-8, RT-004505, TC-166126, ST24030980, METHYL 2-NONENOATE (MAX 90% TRANS), C-05295, methyl trans-3-nonenoate, methyl non - 2 - enoate, Nonenoic acid, methyl ester, Methyl 2-methylnon-2-enoate, NON-2-ENOATE, METHYL, NON-2-YNOATE, METHYL, C10H18O2, AR-1J6070, C10-H18-O2, CID5368076, 36781-67-6, 399550-08-4,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	170.131g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.252g/mol
Monoisotopic Mass	170.131g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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